6FNS
Ergothioneine-biosynthetic methyltransferase EgtD in complex with morpholinohistidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.689, 76.153, 138.662 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.701 - 1.850 |
| R-factor | 0.1643 |
| Rwork | 0.163 |
| R-free | 0.18400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4pim |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.850 | 48.850 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.112 | 0.026 | 1.404 |
| Rmeas | 0.117 | 0.027 | 1.469 |
| Rpim | 0.032 | 0.008 | 0.427 |
| Total number of observations | 862107 | ||
| Number of reflections | 65608 | 656 | 4003 |
| <I/σ(I)> | 18 | ||
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 13.1 | 10.5 | 11.5 |
| CC(1/2) | 0.999 | 1.000 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 18% (w/v) PEG 8000, 20% (v/v) glycerol, 0.16 M Mg-Acetate, 0.08 M Na-Cacodylate |
